4C2J
Crystal structure of human mitochondrial 3-ketoacyl-CoA thiolase in complex with CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-17 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.650, 197.160, 79.950 |
| Unit cell angles | 90.00, 103.72, 90.00 |
Refinement procedure
| Resolution | 46.740 - 2.000 |
| R-factor | 0.1738 |
| Rwork | 0.172 |
| R-free | 0.20252 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dm3 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.510 |
| Data reduction software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.740 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.400 |
| Number of reflections | 110210 | |
| <I/σ(I)> | 13.72 | 3.72 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.6 | 100 MM MES PH 6.6, 14% MME-PEG 5000 |
